4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide

C14H20N4O3 — CID 8967214

IUPAC4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCNC(N)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-16-13(20)11-5-3-10(4-6-11)9-18(2)12(19)7-8-17-14(15)21/h3-6H,7-9H2,1-2H3,(H,16,20)(H3,15,17,21)
InChIKeyQERYHZIMKJKJGI-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.06
Rot. Bonds6

About 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide

4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 8967214) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide
PubChem CID8967214
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCNC(N)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-16-13(20)11-5-3-10(4-6-11)9-18(2)12(19)7-8-17-14(15)21/h3-6H,7-9H2,1-2H3,(H,16,20)(H3,15,17,21)
InChIKeyQERYHZIMKJKJGI-UHFFFAOYSA-N
XLogP0.06
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38746463
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
4-[[(3-amino-2,2-dimethylpropanoyl)-methylamino]methyl]-N-methylbenzamide;hydrochloride
CID 119694216
4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8965694
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide (CID 8967214) is 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)CCNC(N)=O)cc1.
What is the InChIKey of 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is QERYHZIMKJKJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-16-13(20)11-5-3-10(4-6-11)9-18(2)12(19)7-8-17-14(15)21/h3-6H,7-9H2,1-2H3,(H,16,20)(H3,15,17,21).
What are the key properties of 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide?
4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(carbamoylamino)propanoyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 8967214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).